(2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide

C20H26N4O3S — CID 40730777

IUPAC(2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCOc1ccc(-n2ccnc2S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H26N4O3S/c1-14(18(25)23-19(26)22-15-6-4-3-5-7-15)28-20-21-12-13-24(20)16-8-10-17(27-2)11-9-16/h8-15H,3-7H2,1-2H3,(H2,22,23,25,26)/t14-/m0/s1
InChIKeyXNCIWFFLQGUMEV-AWEZNQCLSA-N
MW402.52 g/mol
LogP3.52
Rot. Bonds6

About (2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide

(2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 40730777) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is (2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID40730777
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name(2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCOc1ccc(-n2ccnc2S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H26N4O3S/c1-14(18(25)23-19(26)22-15-6-4-3-5-7-15)28-20-21-12-13-24(20)16-8-10-17(27-2)11-9-16/h8-15H,3-7H2,1-2H3,(H2,22,23,25,26)/t14-/m0/s1
InChIKeyXNCIWFFLQGUMEV-AWEZNQCLSA-N
XLogP3.52
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51270186
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 37286849
(2R)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)propanamide
CID 7907283
N-cyclohexyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 46625428
N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
CID 71898774
N-(cyclopropylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51279989
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 46812280
(2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide
CID 40654553
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-prop-2-ynylpropanamide
CID 134038367
(2R)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-prop-2-enylpropanamide
CID 40675400
(2S)-N-(cyclohexylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7170644
N-(cyclopentylcarbamoyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 17449953

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of (2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide (CID 40730777) is (2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for (2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide is COc1ccc(-n2ccnc2S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of (2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is XNCIWFFLQGUMEV-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-14(18(25)23-19(26)22-15-6-4-3-5-7-15)28-20-21-12-13-24(20)16-8-10-17(27-2)11-9-16/h8-15H,3-7H2,1-2H3,(H2,22,23,25,26)/t14-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
(2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 402.52 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 40730777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).